2-[4-chloro-N-[3-(4-methoxyphenyl)propyl]anilino]-N-methyl-2-phenylacetamide

C25H27ClN2O2 — CID 69039817

IUPAC2-[4-chloro-N-[3-(4-methoxyphenyl)propyl]anilino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)C(c1ccccc1)N(CCCc1ccc(OC)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C25H27ClN2O2/c1-27-25(29)24(20-8-4-3-5-9-20)28(22-14-12-21(26)13-15-22)18-6-7-19-10-16-23(30-2)17-11-19/h3-5,8-17,24H,6-7,18H2,1-2H3,(H,27,29)
InChIKeyWELKKNAPOUAXFU-UHFFFAOYSA-N
MW422.96 g/mol
LogP5.28
Rot. Bonds9

About 2-[4-chloro-N-[3-(4-methoxyphenyl)propyl]anilino]-N-methyl-2-phenylacetamide

2-[4-chloro-N-[3-(4-methoxyphenyl)propyl]anilino]-N-methyl-2-phenylacetamide (PubChem CID 69039817) has the molecular formula C25H27ClN2O2 and a molecular weight of 422.96 g/mol. Its IUPAC name is 2-[4-chloro-N-[3-(4-methoxyphenyl)propyl]anilino]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[4-chloro-N-[3-(4-methoxyphenyl)propyl]anilino]-N-methyl-2-phenylacetamide
PubChem CID69039817
Molecular FormulaC25H27ClN2O2
Molecular Weight422.96 g/mol
Exact Mass422.18
IUPAC Name2-[4-chloro-N-[3-(4-methoxyphenyl)propyl]anilino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)C(c1ccccc1)N(CCCc1ccc(OC)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C25H27ClN2O2/c1-27-25(29)24(20-8-4-3-5-9-20)28(22-14-12-21(26)13-15-22)18-6-7-19-10-16-23(30-2)17-11-19/h3-5,8-17,24H,6-7,18H2,1-2H3,(H,27,29)
InChIKeyWELKKNAPOUAXFU-UHFFFAOYSA-N
XLogP5.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.96
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[N-[3-(2-hydroxyphenyl)propyl]-3,4-dimethoxyanilino]-N-methyl-2-phenylacetamide
CID 69042296
2-[4-fluoro-3-methyl-N-[3-(4-methylsulfonylphenyl)propyl]anilino]-N-methyl-2-phenylacetamide
CID 69043321
(2S)-2-[4-fluoro-N-[3-(2-fluorophenyl)propyl]-3-methylanilino]-N-methyl-2-phenylacetamide
CID 69041041
(2R)-2-[3,4-dimethoxy-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-N-methyl-2-phenylacetamide
CID 69041629
2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-methyl-2-phenylacetamide
CID 133237735
5-(4-methoxyphenyl)-2-phenylpentanoic acid
CID 81008725
(2S)-N-[3-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 100758648
N-[3-(4-chlorophenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 132671766
2-amino-N-[3-(4-methoxyphenyl)propyl]-2-phenylacetamide
CID 119299639
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate
CID 118256663
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30201233
2-[acetyl(benzyl)amino]-N-[2-(4-methoxyphenyl)ethyl]-2-phenylacetamide
CID 133237038

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-N-[3-(4-methoxyphenyl)propyl]anilino]-N-methyl-2-phenylacetamide?
The IUPAC name of 2-[4-chloro-N-[3-(4-methoxyphenyl)propyl]anilino]-N-methyl-2-phenylacetamide (CID 69039817) is 2-[4-chloro-N-[3-(4-methoxyphenyl)propyl]anilino]-N-methyl-2-phenylacetamide.
What is the SMILES notation for 2-[4-chloro-N-[3-(4-methoxyphenyl)propyl]anilino]-N-methyl-2-phenylacetamide?
The canonical SMILES for 2-[4-chloro-N-[3-(4-methoxyphenyl)propyl]anilino]-N-methyl-2-phenylacetamide is CNC(=O)C(c1ccccc1)N(CCCc1ccc(OC)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[4-chloro-N-[3-(4-methoxyphenyl)propyl]anilino]-N-methyl-2-phenylacetamide?
The InChIKey is WELKKNAPOUAXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O2/c1-27-25(29)24(20-8-4-3-5-9-20)28(22-14-12-21(26)13-15-22)18-6-7-19-10-16-23(30-2)17-11-19/h3-5,8-17,24H,6-7,18H2,1-2H3,(H,27,29).
What are the key properties of 2-[4-chloro-N-[3-(4-methoxyphenyl)propyl]anilino]-N-methyl-2-phenylacetamide?
2-[4-chloro-N-[3-(4-methoxyphenyl)propyl]anilino]-N-methyl-2-phenylacetamide has a molecular weight of 422.96 g/mol, XLogP of 5.28, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-N-[3-(4-methoxyphenyl)propyl]anilino]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 69039817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).